ethane;1-(methoxymethyl)pyrene

C20H20O — CID 160555515

IUPACethane;1-(methoxymethyl)pyrene
SMILESCC.COCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C18H14O.C2H6/c1-19-11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)18(14)17(12)13;1-2/h2-10H,11H2,1H3;1-2H3
InChIKeyQYQBDAQASOETIT-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.76
Rot. Bonds2

About ethane;1-(methoxymethyl)pyrene

ethane;1-(methoxymethyl)pyrene (PubChem CID 160555515) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;1-(methoxymethyl)pyrene.

Molecular Properties

Compound Nameethane;1-(methoxymethyl)pyrene
PubChem CID160555515
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Nameethane;1-(methoxymethyl)pyrene
SMILESCC.COCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C18H14O.C2H6/c1-19-11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)18(14)17(12)13;1-2/h2-10H,11H2,1H3;1-2H3
InChIKeyQYQBDAQASOETIT-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[[2-methyl-3-(pyren-1-ylmethoxy)propoxy]methyl]pyrene
CID 102109995
1-ethylpyrene;methane
CID 142201759
1-ethylpyrene;propane
CID 144711239
1-(prop-2-enoxymethyl)pyrene
CID 15180727
1-(pyren-1-ylmethoxy)propan-2-ol
CID 174567671
pyren-1-ylmethyl propanoate
CID 101198857
pyren-1-ylmethyl dihydrogen phosphate
CID 87084266
1-[[2-(methoxymethyl)-2-prop-2-enylpent-4-enoxy]methyl]pyrene
CID 102449670
1-(22-pyren-1-yldocosyl)pyrene
CID 71394694
bis(pyren-1-ylmethanamine);dihydrochloride
CID 159102456
1-(7-pyren-1-ylheptyl)pyrene
CID 71394703
methyl 2-pyren-1-ylethanimidate
CID 153490960

Frequently Asked Questions

What is the IUPAC name of ethane;1-(methoxymethyl)pyrene?
The IUPAC name of ethane;1-(methoxymethyl)pyrene (CID 160555515) is ethane;1-(methoxymethyl)pyrene.
What is the SMILES notation for ethane;1-(methoxymethyl)pyrene?
The canonical SMILES for ethane;1-(methoxymethyl)pyrene is CC.COCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of ethane;1-(methoxymethyl)pyrene?
The InChIKey is QYQBDAQASOETIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O.C2H6/c1-19-11-15-8-7-14-6-5-12-3-2-4-13-9-10-16(15)18(14)17(12)13;1-2/h2-10H,11H2,1H3;1-2H3.
What are the key properties of ethane;1-(methoxymethyl)pyrene?
ethane;1-(methoxymethyl)pyrene has a molecular weight of 276.38 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methoxymethyl)pyrene is sourced from PubChem (CID 160555515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).